2-[(2E)-2-[(Z)-prop-1-enyl]penta-2,4-dienyl]tetrazole-5-carboxylic acid

C10H12N4O2 — CID 168952071

IUPAC2-[(2E)-2-[(Z)-prop-1-enyl]penta-2,4-dienyl]tetrazole-5-carboxylic acid
SMILESC=C/C=C(\C=C/C)Cn1nnc(C(=O)O)n1
InChIInChI=1S/C10H12N4O2/c1-3-5-8(6-4-2)7-14-12-9(10(15)16)11-13-14/h3-6H,1,7H2,2H3,(H,15,16)/b6-4-,8-5+
InChIKeyVHEAOIRTRQUNPU-QXMOYCCXSA-N
MW220.23 g/mol
LogP1.06
Rot. Bonds5

About 2-[(2E)-2-[(Z)-prop-1-enyl]penta-2,4-dienyl]tetrazole-5-carboxylic acid

2-[(2E)-2-[(Z)-prop-1-enyl]penta-2,4-dienyl]tetrazole-5-carboxylic acid (PubChem CID 168952071) has the molecular formula C10H12N4O2 and a molecular weight of 220.23 g/mol. Its IUPAC name is 2-[(2E)-2-[(Z)-prop-1-enyl]penta-2,4-dienyl]tetrazole-5-carboxylic acid.

Molecular Properties

Compound Name2-[(2E)-2-[(Z)-prop-1-enyl]penta-2,4-dienyl]tetrazole-5-carboxylic acid
PubChem CID168952071
Molecular FormulaC10H12N4O2
Molecular Weight220.23 g/mol
Exact Mass220.10
IUPAC Name2-[(2E)-2-[(Z)-prop-1-enyl]penta-2,4-dienyl]tetrazole-5-carboxylic acid
SMILESC=C/C=C(\C=C/C)Cn1nnc(C(=O)O)n1
InChIInChI=1S/C10H12N4O2/c1-3-5-8(6-4-2)7-14-12-9(10(15)16)11-13-14/h3-6H,1,7H2,2H3,(H,15,16)/b6-4-,8-5+
InChIKeyVHEAOIRTRQUNPU-QXMOYCCXSA-N
XLogP1.06
TPSA80.90 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds5
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500220.23
LogP ≤ 51.06
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'polyene', 'substructure': 'N/A'}

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Related Compounds

2-[4-[(2E)-2-[(Z)-prop-1-enyl]penta-2,4-dienyl]piperazin-1-yl]acetohydrazide
CID 138741369
ethane;(3E,5Z)-4-(methylsulfanylmethyl)hepta-1,3,5-triene
CID 142823912
methyl 2-oxo-3-[(2E)-2-[(Z)-prop-1-enyl]penta-2,4-dienyl]-1,3-oxazolidine-4-carboxylate
CID 143497134
(6Z)-1-amino-6-[(Z)-prop-1-enyl]nona-6,8-dien-3-one
CID 163240839
N-[(2Z)-2-[(Z)-prop-1-enyl]penta-2,4-dienyl]methanimine
CID 166868320
N-[(2E)-2-[(Z)-prop-1-enyl]penta-2,4-dienyl]methanimine
CID 142294235
6-(3,5-dimethyl-1,2-oxazol-4-yl)-2-[(2E)-2-[(Z)-prop-1-enyl]penta-2,4-dienyl]pyridazin-3-one;ethane
CID 177247354
2-[(2R)-4-oxo-1-[(2E)-2-[(Z)-prop-1-enyl]penta-2,4-dienyl]azetidin-2-yl]ethyl formate
CID 142384283
8,8-dimethyl-9-[(2E)-2-[(Z)-prop-1-enyl]penta-2,4-dienyl]-6,7-dihydro-5H-carbazole-1-carboxylic acid
CID 146574066
ethane;(3Z)-3-[(Z)-prop-1-enyl]hexa-3,5-dienenitrile
CID 142107986
1-methyl-4-[(2Z)-2-[(Z)-prop-1-enyl]penta-2,4-dienyl]piperidin-4-ol
CID 155472398
2-N-ethyl-2-N-[(2E)-2-[(Z)-prop-1-enyl]penta-2,4-dienyl]-1,3,5-triazine-2,4,6-triamine
CID 146321122

Frequently Asked Questions

What is the IUPAC name of 2-[(2E)-2-[(Z)-prop-1-enyl]penta-2,4-dienyl]tetrazole-5-carboxylic acid?
The IUPAC name of 2-[(2E)-2-[(Z)-prop-1-enyl]penta-2,4-dienyl]tetrazole-5-carboxylic acid (CID 168952071) is 2-[(2E)-2-[(Z)-prop-1-enyl]penta-2,4-dienyl]tetrazole-5-carboxylic acid.
What is the SMILES notation for 2-[(2E)-2-[(Z)-prop-1-enyl]penta-2,4-dienyl]tetrazole-5-carboxylic acid?
The canonical SMILES for 2-[(2E)-2-[(Z)-prop-1-enyl]penta-2,4-dienyl]tetrazole-5-carboxylic acid is C=C/C=C(\C=C/C)Cn1nnc(C(=O)O)n1.
What is the InChIKey of 2-[(2E)-2-[(Z)-prop-1-enyl]penta-2,4-dienyl]tetrazole-5-carboxylic acid?
The InChIKey is VHEAOIRTRQUNPU-QXMOYCCXSA-N. The full InChI is InChI=1S/C10H12N4O2/c1-3-5-8(6-4-2)7-14-12-9(10(15)16)11-13-14/h3-6H,1,7H2,2H3,(H,15,16)/b6-4-,8-5+.
What are the key properties of 2-[(2E)-2-[(Z)-prop-1-enyl]penta-2,4-dienyl]tetrazole-5-carboxylic acid?
2-[(2E)-2-[(Z)-prop-1-enyl]penta-2,4-dienyl]tetrazole-5-carboxylic acid has a molecular weight of 220.23 g/mol, XLogP of 1.06, 5 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[(2E)-2-[(Z)-prop-1-enyl]penta-2,4-dienyl]tetrazole-5-carboxylic acid is sourced from PubChem (CID 168952071), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).