(1-pentylcyclopropyl) cyanate

C9H15NO — CID 57162275

IUPAC(1-pentylcyclopropyl) cyanate
SMILESCCCCCC1(OC#N)CC1
InChIInChI=1S/C9H15NO/c1-2-3-4-5-9(6-7-9)11-8-10/h2-7H2,1H3
InChIKeyNBWMKQLMMMIEQT-UHFFFAOYSA-N
MW153.22 g/mol
LogP2.60
Rot. Bonds5

About (1-pentylcyclopropyl) cyanate

(1-pentylcyclopropyl) cyanate (PubChem CID 57162275) has the molecular formula C9H15NO and a molecular weight of 153.22 g/mol. Its IUPAC name is (1-pentylcyclopropyl) cyanate.

Molecular Properties

Compound Name(1-pentylcyclopropyl) cyanate
PubChem CID57162275
Molecular FormulaC9H15NO
Molecular Weight153.22 g/mol
Exact Mass153.12
IUPAC Name(1-pentylcyclopropyl) cyanate
SMILESCCCCCC1(OC#N)CC1
InChIInChI=1S/C9H15NO/c1-2-3-4-5-9(6-7-9)11-8-10/h2-7H2,1H3
InChIKeyNBWMKQLMMMIEQT-UHFFFAOYSA-N
XLogP2.60
TPSA33.02 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds5
Heavy Atoms11
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500153.22
LogP ≤ 52.60
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

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

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Related Compounds

trimethyl-(1-nonylcyclopropyl)oxysilane
CID 10923164
ethane;1-ethyl-1-hexylcyclopropane
CID 143025428
(1-octylcyclopropyl) octanoate
CID 21488075
4-methyl-1-nonylcyclohexane-1-carbonitrile
CID 65378716
1-dodecylcycloheptane-1-carbonitrile
CID 65392089
4-ethyl-1-heptylcyclohexane-1-carbonitrile
CID 65395560
1-decyl-4-propan-2-ylcyclohexane-1-carbonitrile
CID 65424660
1-hexyl-3-methylcyclopentane-1-carbonitrile
CID 65403275
1-methyl-1-pentylcyclopropane
CID 524644
1-cyclopropyl-1-pentylcyclopropane
CID 173187185
1-pentylbicyclo[2.2.2]octane
CID 13184608
1-pentylcyclopropan-1-amine
CID 66023547

Frequently Asked Questions

What is the IUPAC name of (1-pentylcyclopropyl) cyanate?
The IUPAC name of (1-pentylcyclopropyl) cyanate (CID 57162275) is (1-pentylcyclopropyl) cyanate.
What is the SMILES notation for (1-pentylcyclopropyl) cyanate?
The canonical SMILES for (1-pentylcyclopropyl) cyanate is CCCCCC1(OC#N)CC1.
What is the InChIKey of (1-pentylcyclopropyl) cyanate?
The InChIKey is NBWMKQLMMMIEQT-UHFFFAOYSA-N. The full InChI is InChI=1S/C9H15NO/c1-2-3-4-5-9(6-7-9)11-8-10/h2-7H2,1H3.
What are the key properties of (1-pentylcyclopropyl) cyanate?
(1-pentylcyclopropyl) cyanate has a molecular weight of 153.22 g/mol, XLogP of 2.60, 5 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for (1-pentylcyclopropyl) cyanate is sourced from PubChem (CID 57162275), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).