amino-[(2-prop-2-ynyl-9H-fluoren-1-yl)methyl]carbamic acid

C18H16N2O2 — CID 138707985

IUPACamino-[(2-prop-2-ynyl-9H-fluoren-1-yl)methyl]carbamic acid
SMILESC#CCc1ccc2c(c1CN(N)C(=O)O)Cc1ccccc1-2
InChIInChI=1S/C18H16N2O2/c1-2-5-12-8-9-15-14-7-4-3-6-13(14)10-16(15)17(12)11-20(19)18(21)22/h1,3-4,6-9H,5,10-11,19H2,(H,21,22)
InChIKeyVKOBAIKURPEICT-UHFFFAOYSA-N
MW292.34 g/mol
LogP2.79
Rot. Bonds3

About amino-[(2-prop-2-ynyl-9H-fluoren-1-yl)methyl]carbamic acid

amino-[(2-prop-2-ynyl-9H-fluoren-1-yl)methyl]carbamic acid (PubChem CID 138707985) has the molecular formula C18H16N2O2 and a molecular weight of 292.34 g/mol. Its IUPAC name is amino-[(2-prop-2-ynyl-9H-fluoren-1-yl)methyl]carbamic acid.

Molecular Properties

Compound Nameamino-[(2-prop-2-ynyl-9H-fluoren-1-yl)methyl]carbamic acid
PubChem CID138707985
Molecular FormulaC18H16N2O2
Molecular Weight292.34 g/mol
Exact Mass292.12
IUPAC Nameamino-[(2-prop-2-ynyl-9H-fluoren-1-yl)methyl]carbamic acid
SMILESC#CCc1ccc2c(c1CN(N)C(=O)O)Cc1ccccc1-2
InChIInChI=1S/C18H16N2O2/c1-2-5-12-8-9-15-14-7-4-3-6-13(14)10-16(15)17(12)11-20(19)18(21)22/h1,3-4,6-9H,5,10-11,19H2,(H,21,22)
InChIKeyVKOBAIKURPEICT-UHFFFAOYSA-N
XLogP2.79
TPSA66.56 Ų
H-Bond Donors2
H-Bond Acceptors2
Rotatable Bonds3
Heavy Atoms22
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500292.34
LogP ≤ 52.79
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'acyl_hydrazine', 'substructure': 'N/A'}, {'alert_name': 'hydrazine', 'substructure': 'N/A'}, {'alert_name': 'Oxygen-nitrogen_single_bond', 'substructure': 'N/A'}, {'alert_name': 'triple_bond', 'substructure': 'N/A'}

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Related Compounds

2-(1-ethyl-9H-fluoren-2-yl)acetic acid
CID 158650084
1,2-diethyl-9H-fluorene
CID 23440471
2-(9H-fluoren-1-yl)acetamide
CID 22939017
(2-amino-9H-fluoren-1-yl)methanol
CID 67611145
4-[(2-benzyl-9H-fluoren-1-yl)methyl]phenol
CID 151052174
4-[(1-benzyl-9H-fluoren-2-yl)methyl]phenol
CID 150703659
1-(3-hydroxypropyl)-9H-fluorene-2-carboxylic acid
CID 141108943
2-(2-phenoxy-9H-fluoren-1-yl)ethanol
CID 175802941
1-ethenyl-2-ethyl-9H-fluorene
CID 158586423
3-(1-amino-9H-fluoren-2-yl)propanenitrile
CID 152647323
2-[2-(2-chlorophenyl)ethyl]-9H-fluoren-1-amine
CID 151484555
acetic acid;azane;9H-fluorene
CID 174966259

Frequently Asked Questions

What is the IUPAC name of amino-[(2-prop-2-ynyl-9H-fluoren-1-yl)methyl]carbamic acid?
The IUPAC name of amino-[(2-prop-2-ynyl-9H-fluoren-1-yl)methyl]carbamic acid (CID 138707985) is amino-[(2-prop-2-ynyl-9H-fluoren-1-yl)methyl]carbamic acid.
What is the SMILES notation for amino-[(2-prop-2-ynyl-9H-fluoren-1-yl)methyl]carbamic acid?
The canonical SMILES for amino-[(2-prop-2-ynyl-9H-fluoren-1-yl)methyl]carbamic acid is C#CCc1ccc2c(c1CN(N)C(=O)O)Cc1ccccc1-2.
What is the InChIKey of amino-[(2-prop-2-ynyl-9H-fluoren-1-yl)methyl]carbamic acid?
The InChIKey is VKOBAIKURPEICT-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H16N2O2/c1-2-5-12-8-9-15-14-7-4-3-6-13(14)10-16(15)17(12)11-20(19)18(21)22/h1,3-4,6-9H,5,10-11,19H2,(H,21,22).
What are the key properties of amino-[(2-prop-2-ynyl-9H-fluoren-1-yl)methyl]carbamic acid?
amino-[(2-prop-2-ynyl-9H-fluoren-1-yl)methyl]carbamic acid has a molecular weight of 292.34 g/mol, XLogP of 2.79, 3 rotatable bonds, 2 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for amino-[(2-prop-2-ynyl-9H-fluoren-1-yl)methyl]carbamic acid is sourced from PubChem (CID 138707985), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).