(E)-N-[4-(1-cyclopropyltetrazol-5-yl)phenyl]but-2-enamide

C14H15N5O — CID 112725246

IUPAC(E)-N-[4-(1-cyclopropyltetrazol-5-yl)phenyl]but-2-enamide
SMILESC/C=C/C(=O)Nc1ccc(-c2nnnn2C2CC2)cc1
InChIInChI=1S/C14H15N5O/c1-2-3-13(20)15-11-6-4-10(5-7-11)14-16-17-18-19(14)12-8-9-12/h2-7,12H,8-9H2,1H3,(H,15,20)/b3-2+
InChIKeyIIDYXNRBTCDZIH-NSCUHMNNSA-N
MW269.31 g/mol
LogP2.19
Rot. Bonds4

About (E)-N-[4-(1-cyclopropyltetrazol-5-yl)phenyl]but-2-enamide

(E)-N-[4-(1-cyclopropyltetrazol-5-yl)phenyl]but-2-enamide (PubChem CID 112725246) has the molecular formula C14H15N5O and a molecular weight of 269.31 g/mol. Its IUPAC name is (E)-N-[4-(1-cyclopropyltetrazol-5-yl)phenyl]but-2-enamide.

Molecular Properties

Compound Name(E)-N-[4-(1-cyclopropyltetrazol-5-yl)phenyl]but-2-enamide
PubChem CID112725246
Molecular FormulaC14H15N5O
Molecular Weight269.31 g/mol
Exact Mass269.13
IUPAC Name(E)-N-[4-(1-cyclopropyltetrazol-5-yl)phenyl]but-2-enamide
SMILESC/C=C/C(=O)Nc1ccc(-c2nnnn2C2CC2)cc1
InChIInChI=1S/C14H15N5O/c1-2-3-13(20)15-11-6-4-10(5-7-11)14-16-17-18-19(14)12-8-9-12/h2-7,12H,8-9H2,1H3,(H,15,20)/b3-2+
InChIKeyIIDYXNRBTCDZIH-NSCUHMNNSA-N
XLogP2.19
TPSA72.70 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds4
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500269.31
LogP ≤ 52.19
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'Michael_acceptor_1', 'substructure': 'N/A'}

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Related Compounds

N-[4-(1-cyclopropyltetrazol-5-yl)phenyl]propanamide
CID 60724572
N-cyclopropyl-4-[(E)-3-[4-(1-cyclopropyltetrazol-5-yl)anilino]-3-oxoprop-1-enyl]benzamide
CID 46423867
tert-butyl N-[4-(1-cyclopropyltetrazol-5-yl)phenyl]carbamate
CID 65142786
N-[4-(1-piperidin-4-yltetrazol-5-yl)phenyl]acetamide
CID 84759253
4-(1-cyclopropyltetrazol-5-yl)-N-methylaniline
CID 63090376
(1R)-2,2-dichloro-N-[4-(1-cyclopropyltetrazol-5-yl)phenyl]-1-methylcyclopropane-1-carboxamide
CID 39974905
(E)-3-[2,4-bis(difluoromethoxy)phenyl]-N-[4-(1-cyclopropyltetrazol-5-yl)phenyl]prop-2-enamide
CID 55560587
N-[4-(1-cyclopropyltetrazol-5-yl)phenyl]-4-iodobenzamide
CID 46548478
N-[4-(1-cyclopropyltetrazol-5-yl)phenyl]pyridine-2-carboxamide
CID 30701945
2-cyclopentyl-N-[4-(1-cyclopropyltetrazol-5-yl)phenyl]pyrrolidine-1-carboxamide
CID 87035105
4-bromo-N-[4-(1-cyclopropyltetrazol-5-yl)phenyl]-3,5-dimethoxybenzamide
CID 30702128
N-[4-(1-cyclopropyltetrazol-5-yl)phenyl]-2-propan-2-yloxybenzamide
CID 86893928

Frequently Asked Questions

What is the IUPAC name of (E)-N-[4-(1-cyclopropyltetrazol-5-yl)phenyl]but-2-enamide?
The IUPAC name of (E)-N-[4-(1-cyclopropyltetrazol-5-yl)phenyl]but-2-enamide (CID 112725246) is (E)-N-[4-(1-cyclopropyltetrazol-5-yl)phenyl]but-2-enamide.
What is the SMILES notation for (E)-N-[4-(1-cyclopropyltetrazol-5-yl)phenyl]but-2-enamide?
The canonical SMILES for (E)-N-[4-(1-cyclopropyltetrazol-5-yl)phenyl]but-2-enamide is C/C=C/C(=O)Nc1ccc(-c2nnnn2C2CC2)cc1.
What is the InChIKey of (E)-N-[4-(1-cyclopropyltetrazol-5-yl)phenyl]but-2-enamide?
The InChIKey is IIDYXNRBTCDZIH-NSCUHMNNSA-N. The full InChI is InChI=1S/C14H15N5O/c1-2-3-13(20)15-11-6-4-10(5-7-11)14-16-17-18-19(14)12-8-9-12/h2-7,12H,8-9H2,1H3,(H,15,20)/b3-2+.
What are the key properties of (E)-N-[4-(1-cyclopropyltetrazol-5-yl)phenyl]but-2-enamide?
(E)-N-[4-(1-cyclopropyltetrazol-5-yl)phenyl]but-2-enamide has a molecular weight of 269.31 g/mol, XLogP of 2.19, 4 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for (E)-N-[4-(1-cyclopropyltetrazol-5-yl)phenyl]but-2-enamide is sourced from PubChem (CID 112725246), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).