5-cyanopentylcarbamic acid;hydrochloride

C7H13ClN2O2 — CID 88781011

IUPAC5-cyanopentylcarbamic acid;hydrochloride
SMILESCl.N#CCCCCCNC(=O)O
InChIInChI=1S/C7H12N2O2.ClH/c8-5-3-1-2-4-6-9-7(10)11;/h9H,1-4,6H2,(H,10,11);1H
InChIKeyYDYKBAWDANYIFT-UHFFFAOYSA-N
MW192.65 g/mol
LogP1.76
Rot. Bonds5

About 5-cyanopentylcarbamic acid;hydrochloride

5-cyanopentylcarbamic acid;hydrochloride (PubChem CID 88781011) has the molecular formula C7H13ClN2O2 and a molecular weight of 192.65 g/mol. Its IUPAC name is 5-cyanopentylcarbamic acid;hydrochloride.

Molecular Properties

Compound Name5-cyanopentylcarbamic acid;hydrochloride
PubChem CID88781011
Molecular FormulaC7H13ClN2O2
Molecular Weight192.65 g/mol
Exact Mass192.07
IUPAC Name5-cyanopentylcarbamic acid;hydrochloride
SMILESCl.N#CCCCCCNC(=O)O
InChIInChI=1S/C7H12N2O2.ClH/c8-5-3-1-2-4-6-9-7(10)11;/h9H,1-4,6H2,(H,10,11);1H
InChIKeyYDYKBAWDANYIFT-UHFFFAOYSA-N
XLogP1.76
TPSA73.12 Ų
H-Bond Donors2
H-Bond Acceptors2
Rotatable Bonds5
Heavy Atoms12
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500192.65
LogP ≤ 51.76
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

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

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Related Compounds

oct-7-ynylcarbamic acid
CID 174966346
N-(5-cyanopentyl)-2,2,2-trifluoroacetamide
CID 130012441
7-iodohept-6-ynylcarbamic acid
CID 57116926
1-N,4-N-bis(5-cyanopentyl)benzene-1,4-dicarboxamide
CID 11783188
2-bromo-N-(4-cyanobutyl)propanamide
CID 107905319
N-(4-cyanobutyl)octanamide
CID 63284822
[5-amino-6-(cyanomethylamino)-6-oxohexyl]carbamic acid
CID 87849237
3-cyanopropylurea
CID 62667023
tert-butyl N-(4-cyanobutyl)carbamate
CID 45091902
2-amino-N-(3-cyanopropyl)acetamide
CID 62666255
henicosanedinitrile
CID 87345062
3,4-dichloro-N-(8-cyanooctyl)-1,2-thiazole-5-carboxamide
CID 70165680

Frequently Asked Questions

What is the IUPAC name of 5-cyanopentylcarbamic acid;hydrochloride?
The IUPAC name of 5-cyanopentylcarbamic acid;hydrochloride (CID 88781011) is 5-cyanopentylcarbamic acid;hydrochloride.
What is the SMILES notation for 5-cyanopentylcarbamic acid;hydrochloride?
The canonical SMILES for 5-cyanopentylcarbamic acid;hydrochloride is Cl.N#CCCCCCNC(=O)O.
What is the InChIKey of 5-cyanopentylcarbamic acid;hydrochloride?
The InChIKey is YDYKBAWDANYIFT-UHFFFAOYSA-N. The full InChI is InChI=1S/C7H12N2O2.ClH/c8-5-3-1-2-4-6-9-7(10)11;/h9H,1-4,6H2,(H,10,11);1H.
What are the key properties of 5-cyanopentylcarbamic acid;hydrochloride?
5-cyanopentylcarbamic acid;hydrochloride has a molecular weight of 192.65 g/mol, XLogP of 1.76, 5 rotatable bonds, 2 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 5-cyanopentylcarbamic acid;hydrochloride is sourced from PubChem (CID 88781011), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).